Crystallography Open Database

Information card for entry 4105184

Preview

Coordinates	4105184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 O6 Sr
Calculated formula	C4 H4 O6 Sr
SMILES	C(=O)([C@H](O)[C@H](C(=O)[O-])O)[O-].[Sr+2]
Title of publication	Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies
Authors of publication	Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	15375 - 15386
a	7.8865 ± 0.001 Å
b	10.0448 ± 0.001 Å
c	7.5186 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	595.61 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178797 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/51.	4105184.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105184.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105184.cif
30378	2011-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4105184 via cif-deposit CGI script.	4105184.cif